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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:acalabrutinib
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Accession:CHEBI:167707 term browser browse the term
Definition:A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.
Synonyms:exact_synonym: 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide
 related_synonym: (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide;   4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridyl)benzamide;   ACP-196;   Calquence;   Formula=C26H23N7O2;   InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1;   InChIKey=WDENQIQQYWYTPO-IBGZPJMESA-N;   SMILES=[H][C@]1(CCCN1C(=O)C#CC)C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1;   acalabrutinibum
 xref: CAS:1420477-60-6;   Chemspider:36764951;   DrugBank:DB11703;   Drug_Central:5260;   KEGG:D10893
 xref_mesh: MESH:C000604908
 xref: PMID:26641137;   PMID:26957112;   PMID:28642301;   PMID:28882879;   PMID:30664965;   PMID:30681658;   PMID:30967367;   PMID:31306750;   PMID:31355927;   PMID:31686856;   PMID:31738609;   PMID:31866282;   PMID:31915195;   PMID:32202637;   PMID:32256115;   PMID:32305083;   PMID:32358576;   PMID:32675912;   PMID:32678359;   PMID:32757302;   PMID:33032842;   PMID:33216986;   PMID:33322571;   PMID:33427570;   PMID:33441177;   PMID:33486852;   PMID:33491779;   PMID:33526860;   PMID:33613932;   PMID:33728735;   PMID:33730844;   Wikipedia:Acalabrutinib


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acalabrutinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Crp C-reactive protein affects expression ISO acalabrutinib affects the expression of CRP protein CTD PMID:32503877 NCBI chr13:91,080,448...91,081,358
Ensembl chr13:91,054,974...91,093,713
JBrowse link
G Il6 interleukin 6 decreases expression ISO acalabrutinib results in decreased expression of IL6 protein CTD PMID:32503877 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19767
    role 19714
      biological role 19714
        biochemical role 19303
          apoptosis inducer 11020
            acalabrutinib 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    p-block element atom 19657
                      carbon group element atom 19573
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18156
                                        carboacyl group 17415
                                          univalent carboacyl group 17415
                                            carbamoyl group 17212
                                              carboxamide 17212
                                                monocarboxylic acid amide 14604
                                                  arenecarboxamide 6541
                                                    benzamides 6541
                                                      acalabrutinib 2
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